SE9

(2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

Created: 2022-06-30
Last modified:  2022-09-14

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count50
Aromatic Bond Count12
2D diagram of SE9
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Chemical Component Summary

Name(2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-(2-methoxypyridin-4-yl)ethyl]-5-oxidanyl-6-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-pyrimidine-4-carboxamide
FormulaC20 H17 F3 N4 O4
Molecular Weight434.369
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OC1=C(N=C(NC1=O)c1cccc(c1)C(F)(F)F)C(=O)NCCc1ccnc(OC)c1
SMILESCACTVS3.385COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1
SMILESOpenEye OEToolkits2.0.7COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)O
Canonical SMILESCACTVS3.385 COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)O
InChIInChI1.06 InChI=1S/C20H17F3N4O4/c1-31-14-9-11(5-7-24-14)6-8-25-18(29)15-16(28)19(30)27-17(26-15)12-3-2-4-13(10-12)20(21,22)23/h2-5,7,9-10,28H,6,8H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyInChI1.06 CJUKCSPPUSTPJP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 164889290